N-(3,5-difluorophenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide

C16H10F3N3O — CID 45030497

IUPACN-(3,5-difluorophenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1cc(F)cc(F)c1)c1cc(-c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C16H10F3N3O/c17-10-3-1-9(2-4-10)14-8-15(22-21-14)16(23)20-13-6-11(18)5-12(19)7-13/h1-8H,(H,20,23)(H,21,22)
InChIKeyXFXJMHYJNJOSGI-UHFFFAOYSA-N
MW317.27 g/mol
LogP3.75
Rot. Bonds3

About N-(3,5-difluorophenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide

N-(3,5-difluorophenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide (PubChem CID 45030497) has the molecular formula C16H10F3N3O and a molecular weight of 317.27 g/mol. Its IUPAC name is N-(3,5-difluorophenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(3,5-difluorophenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
PubChem CID45030497
Molecular FormulaC16H10F3N3O
Molecular Weight317.27 g/mol
Exact Mass317.08
IUPAC NameN-(3,5-difluorophenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1cc(F)cc(F)c1)c1cc(-c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C16H10F3N3O/c17-10-3-1-9(2-4-10)14-8-15(22-21-14)16(23)20-13-6-11(18)5-12(19)7-13/h1-8H,(H,20,23)(H,21,22)
InChIKeyXFXJMHYJNJOSGI-UHFFFAOYSA-N
XLogP3.75
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.27
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,5-dimethylphenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 45030468
N-(3,5-dimethoxyphenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 45030480
N-(4-bromophenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 45030503
N-(2-chloro-5-fluorophenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 45030505
3-(4-fluorophenyl)-N-(4-methylsulfanylphenyl)-1H-pyrazole-5-carboxamide
CID 45030519
3-(4-chlorophenyl)-N-(3-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 46920010
3-(4-fluorophenyl)-N-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxamide
CID 45030518
N-(2,5-dichlorophenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 45030500
3-(4-fluorophenyl)-N-(3-methoxy-5-nitrophenyl)-1H-pyrazole-5-carboxamide
CID 19514504
3-(4-methylphenyl)-N-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 19510252
N-(4-acetamido-3-methoxyphenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 87019112
methyl 3-(4-fluorophenyl)-1H-pyrazole-5-carboxylate
CID 718672

Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluorophenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(3,5-difluorophenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide (CID 45030497) is N-(3,5-difluorophenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(3,5-difluorophenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(3,5-difluorophenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide is O=C(Nc1cc(F)cc(F)c1)c1cc(-c2ccc(F)cc2)n[nH]1.
What is the InChIKey of N-(3,5-difluorophenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is XFXJMHYJNJOSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3N3O/c17-10-3-1-9(2-4-10)14-8-15(22-21-14)16(23)20-13-6-11(18)5-12(19)7-13/h1-8H,(H,20,23)(H,21,22).
What are the key properties of N-(3,5-difluorophenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide?
N-(3,5-difluorophenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 317.27 g/mol, XLogP of 3.75, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluorophenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 45030497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).